⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL701268 | 0.75 | EDNRB (0.30) | — | |
| Bromide SCHEMBL28689439 | 0.74 | — | — | |
| SCHEMBL7240144 | 0.70 | NPC1 (0.32) | — | |
| SCHEMBL7232618 | 0.69 | — | — | |
| SCHEMBL29021557 | 0.68 | — | — | |
| SCHEMBL700745 | 0.68 | L3MBTL1 (0.41) | — | |
| SCHEMBL29603298 | 0.68 | L3MBTL1 (0.41) | — | |
| SCHEMBL7233095 | 0.66 | NPC1 (0.35) | — | |
| SCHEMBL5638874 | 0.65 | L3MBTL1 (0.42) | — | |
| SCHEMBL28008116 | 0.64 | EDNRB (0.30) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7309802-B2 | Preparation of isoxazolin-3-ylacylbenzene | BASF AKTIENGESELLSCHAFT (DE) | 2007-12-18 | — | — | US | disclosed |